General Information of the Compound
| Compound ID |
CP0574418
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| Compound Name |
6-(2,6-dichlorophenyl)-8-[2-(dimethylamino)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-5-one
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| Structure |
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| Formula |
C28H31Cl2N7O
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| Molecular Weight |
552.51
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| Canonical SMILES |
CN(C)CCn1cc(-c2c(Cl)cccc2Cl)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12
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| InChI |
InChI=1S/C28H31Cl2N7O/c1-34(2)11-14-37-18-22(25-23(29)5-4-6-24(25)30)26(38)21-17-31-28(33-27(21)37)32-19-7-9-20(10-8-19)36-15-12-35(3)13-16-36/h4-10,17-18H,11-16H2,1-3H3,(H,31,32,33)
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| InChIKey |
WZZHTEOWWFBIBK-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound